UCSF

ZINC02919750

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 25 Yes

Popular Name: (5S,7S)-7-(2-chloro-6-fluoro-phenyl)-5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a (5S,7S)-7-(2-chloro-6-fluoro-phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 12.14 -11.43 1 4 0 43 356.832 2 ↓
Mid Mid (pH 6-8) 4.68 13.52 -105.27 3 4 2 49 358.848 2 ↓
Lo Low (pH 4.5-6) 4.50 12.66 -31.13 2 4 1 44 357.84 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 2200 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50606 Z50606 Hepatitis B Virus 2200 0.32 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.